Richard F.W. Bader

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Transcript of Richard F.W. Bader

Richard F.W. BaderBackground FactsBorn (1931) and raised in KitchenerFamily was not wealthy, applied to McMaster for a regional scholarship Had an interest in observing the smallest of objects in surroundings since he was littleFieldDr. Bader worked in the field of Chemistry, and was recognized as a quantum chemist and a theoretical chemist...FieldIn his last years, he worked at McMaster University as a Professor, under the Department of ChemistryTo get to create this career, he studied/worked at:ContributionDeveloped the QTAIM (Quantum Theory of Atoms in Molecules) QTAIM states that atoms and chemical bonds in a molecular structure behave in a certain way because of the structure’s “electron density distribution function,” which has an important role in explaining the experimental results and observations of chemistry Electron density distribution function refers to the distribution of electrons from the nucleus.

Significance

Allows the possibility of new applications of the theoryThese new applications may eventually allow one to mimic the experiments performed in laboratories on a computerComputerized experiments are possible due to linking together the functional groups of theory, and will be quick and efficientApplications of QTAIM include creating new molecules and materials with specific propertiesMany technologies have been created to implement QTAIM Quantum Chemist: A chemistry expert who studies the relation of the quantum theory and quantum mechanics to the make up of molecules in chemistry; quantum theory/mechanics is used to explain certain theoretical problems in chemistry. McMaster University (where he received his BSc and MSc)

 Massachusetts Institution of Technology (where he received his PhD, and did his post doctorate)

 Cambridge University (where he continued to do his post doctorate work)

 University of Ottawa (Assistant Professor under the Department of Chemistry)

His theory states that the topology of electron density can be used to determine the inter atomic forces (the force that bond atoms together in solids) that give a molecular structure its shape Specifically for topology: he used the points where the electron density is zero (neither increasing or decreasing) to determine the shapes of molecular structuresBader discovered that by added up the properties of constituent atoms, you could predict the molecular propertiesAble to predict the properties of moleBader’s theory was founded based on distinguishing the very important role of electron density, and understanding their experimental results AIMAll- Computational Chemistry using the Quantum Theory of Atoms in MoleculesAIMPAC – Software applications which apply the Quantum Theory of Atoms in MoleculesSignificance of QTAIMQTAIM helps quantify existing concepts of chemistryProvides a physical representation of certain concepts in chemistryExtends quantum theory to apply to parts of systemsAllows one to cut through electron density while leaving the laws of quantum mechanics completePerformed small experiments as a boy (broken cucumber stalk)Kept notes on his small experiments"Mad Scientist"With the aid of a Kipp generator, created hydrogen sulfide gasTruly passionate about chemistry specifically“One aspect of science that appealed greatly to me by the time I was in my early teens was that science is without prejudices - that truth, as acquired by observation, would always prevail. One builds upon the work of others that have preceded you, but then you are the master of your own fate, free to work on what you wish, as long as you follow the rules of the game - experiment and observation followed by theory.”Theoretical Chemist vs. Experimental ChemistTheoretical Chemist = A chemist that comes up with explanations to chemistry’s (unsolved) phenomena based on physicsExperimental Chemist = A chemist that comes up with explanations for the way chemicals react based on experimental results